-ISIS-  08091621332D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.5750   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -1.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
  5  6  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <ID> (BBL000219)
BBL000219

>  <Rotatable_Bonds> (BBL000219)
1

>  <logP> (BBL000219)
3.895

>  <PSA> (BBL000219)
52.05

>  <H_Donors> (BBL000219)
2

>  <H_Acceptors> (BBL000219)
1

>  <Number_of_rings> (BBL000219)
3

>  <NAME> (BBL000219)
4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)aniline

>  <Mol_Weight> (BBL000219)
258.71

>  <Mol_Formula> (BBL000219)
C14H11ClN2O

>  <Smiles> (BBL000219)
Cc1ccc2c(c1)oc(n2)c1cc(N)ccc1Cl

>  <CAS_Number> (BBL000219)
293737-71-0

>  <Alternative_identifier> (BBL000219)
MFCD00442253

$$$$